Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | PAM | P19021 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | ADK | P55263 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28933361 | 0.92 | KCNH2 (0.39) | APPPAMTSHRMAOAMAOB | |
| SCHEMBL7552481 | 0.85 | APP (0.52) | APPPAMTSHRMAOAMAOB | |
| SCHEMBL29561314 | 0.80 | APP (0.42) | APPPAMMAOAMAOBCYP1A2 | |
| SCHEMBL29560906 | 0.80 | VCP (0.44) | APPPAMTSHRCYP1A2ALDH1A1 | |
| SCHEMBL29561909 | 0.80 | APP (0.42) | APPPAMMAOAMAOBCYP1A2 | |
| SCHEMBL29561344 | 0.76 | MEN1 (0.45) | APPTSHRMAOAMAOBCYP1A2 | |
| SCHEMBL717633 | 0.75 | APP (0.67) | APPTSHRCYP1A2ADKALDH1A1 | |
| SCHEMBL29187603 | 0.73 | HPGD (0.56) | PAMMAOBALDH1A1LMNAL3MBTL1 | |
| SCHEMBL29561302 | 0.73 | ALDH1A1 (0.53) | CYP1A2ALDH1A1LMNAL3MBTL1MEN1 | |
| SCHEMBL29561253 | 0.72 | APP (0.37) | APPPAMMAOAMAOBCYP1A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115583902-B | Preparation method of alkynyl thioether compound | 江苏医药职业学院 | 2024-02-13 | — | — | CN | disclosed |